Geometry & MOs

Info

ID:	401411
PubChem CID:	135051196
Reduced:	BrSO2N3C8H10 (1)
Stoich.:	ABC2D3E8F10 (1)
Weight, g/mol:	365.081871
ΔH_f, kcal/mol:	11.99
Dipole, Da:	13.61
IP(EA), eV:	-8.31(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(N-benzoyl-4-chloroanilino) 2-phenylacetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CSC(=[NH2+])N)[N+](=O)[O-].[Br-]

DOS

IR

Vibrations